Molecule ID: mol20073

SMILES: COc1ccc(C(=O)N[C@@H]2CCC[C@@H]3CCN(C)C[C@H]32)cc1OC

InChI: InChI=1S/C19H28N2O3/c1-21-10-9-13-5-4-6-16(15(13)12-21)20-19(22)14-7-8-17(23-2)18(11-14)24-3/h7-8,11,13,15-16H,4-6,9-10,12H2,1-3H3,(H,20,22)/t13-,15-,16-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.89 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization